0 B12R2.1081 c1cc2c(c(c1)O)CCCC2 TN1 [0,0,0,0,0,0|1,0,3]=4 1 B12R2.1081 c1cc2c(cccn2)c(c1)Br 4XH [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 c1cc2c(cccn2)c(c1)O 5Q0 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.1081 c1cc2cccnc2c(c1)N Q8A [0,0,0,0,0,0|1,0,0]=1 4 B12R2.1081 c1cc2cccnc2c(c1)O HQY [0,0,0,0,0,0|0,0,0]=0 5 B12R2.1081 c1cc2cnccc2c(c1)N 5IQ [0,0,0,0,0,0|3,0,0]=3 6 B12R2.1081 c1cc2cnccc2c(c1)O 5SG [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 c1ccc2c(c1)C(=O)N=CN2 JPZ [0,0,0,0,0,0|3,0,1]=4 8 B12R2.1081 c1ccc2c(c1)C=CNC2=O 4YS [0,0,0,0,0,0|2,0,1]=3 9 B12R2.1081 c1ccc2c(c1)c(ccn2)N 1LM [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 c1ccc2c(c1)c(ccn2)O ES1 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.1081 c1ccc2c(c1)c(ncn2)N 1LQ [0,0,0,0,0,0|4,0,0]=4 12 B12R2.1081 c1ccc2c(c1)cccc2Cl 15O [0,0,0,0,0,0|2,0,0]=2 13 B12R2.1081 c1ccc2c(c1)cccc2O 1NP [0,0,0,0,0,0|1,0,0]=1 14 B12R2.1081 c1ccc2c(c1)cccc2S 2XH [0,0,0,0,0,0|1,1,0]=2 15 B12R2.1081 c1ccc2c(c1)ccnc2N 1SQ [0,0,0,0,0,0|3,0,0]=3 16 B11R2.20 c1ccc2c(c1)cncn2 QUZ [1,0,0,0,0,0|1,0,0]=2 17 B11R2.20 c1ccc2ccccc2c1 NPY [1,0,0,0,0,0|1,0,0]=2 18 B11R2.20 c1ccc2cnccc2c1 ISQ [1,0,0,0,0,0|2,0,0]=3 19 B11R2.20 c1ccc2cnncc2c1 4FT [1,0,0,0,0,0|3,0,0]=4 20 B13R2.32 CN1c2ccccc2C=CC1=O 12Q [0,1,0,0,0,0|3,0,0]=4 21 B13R2.32 Cc1cnc2ccccc2c1N 7W1 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.32 c1ccc2c(c1)C=CN(C2=S)O HQT [0,1,0,0,0,0|2,1,0]=4 23 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O NDH [0,1,0,0,0,0|1,0,2]=4 24 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N 2NW [0,1,0,0,0,0|3,0,0]=4 25 B13R2.32 c1ccc2c(c1)ccc(c2O)O D1N [0,1,0,0,0,0|1,0,0]=2 26 B13R2.162 Cc1ccc2c(c1)C(=O)NC=C2 KUF [0,1,0,0,0,0|2,0,1]=4 27 B13R2.162 c1cc2c(c(c1)O)OC(=O)C=C2 8CM [0,1,0,0,0,0|1,0,0]=2 28 B13R2.162 c1cc2ccc(nc2c(c1)O)N 0P6 [0,1,0,0,0,0|0,0,0]=1 29 B13R2.328 CC1=CC(=O)Oc2c1cccc2 ZZ1 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.328 Cc1cc(c2ccccc2n1)N M4A [0,1,0,0,0,0|3,0,0]=4 31 B13R2.328 Cc1cc(nc2c1cccc2)N M5K [0,1,0,0,0,0|3,0,0]=4 32 B13R2.328 Cc1cc(nc2c1cccc2)O AJ2 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.328 c1ccc2c(c1)C(=CC(=O)O2)O 4HC [0,1,0,0,0,0|2,0,0]=3 34 B13R2.342 Cc1cccc2c1nccc2N 07K [0,1,0,0,0,0|1,0,0]=2 35 B13R2.342 c1cc2c(c(c1)N)CC=NC2=O 32X [0,1,0,0,0,0|3,0,0]=4 36 B13R2.342 c1cc2c(c(c1)O)CC=NC2=O IQD [0,1,0,0,0,0|2,0,0]=3 37 B13R2.1613 c1ccc2c(c1)\C(=N\N)\C=CN2 7VS [0,1,0,0,0,0|3,0,0]=4 38 B13R2.1613 c1ccc2c(c1)cccc2CN 7CD [0,1,0,0,0,0|2,0,0]=3 39 B13R2.5179 c1cc2c(ccnc2cc1Cl)O MRW [0,1,0,0,0,0|2,0,0]=3 40 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [0,1,0,0,0,0|1,0,0]=2 41 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [0,1,0,0,0,0|1,0,0]=2 42 B11R1.13 Cc1cccc(c1O)CC=C LYL [0,0,1,0,0,0|2,0,1]=4 43 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [0,0,0,0,1,0|3,0,0]=4 44 B11R2.1 c1cnc2c(n1)c(cs2)N SVN [0,0,0,0,1,0|3,0,0]=4 45 B11R2.106 c1cc(c2c(c1)[nH]cn2)N 7WA [0,0,0,0,1,0|2,0,0]=3 46 B11R2.106 c1cc(c2c(c1)nsn2)N BTE [0,0,0,0,1,0|3,0,0]=4 47 B11R2.106 c1cc(n2ccnc2c1)N 1LX [0,0,0,0,1,0|3,0,0]=4 48 B11R2.106 c1cc2cn[nH]c2c(c1)N 10L [0,0,0,0,1,0|2,0,1]=4 49 B11R2.106 c1cnc2ccsc2c1O TR2 [0,0,0,0,1,0|2,0,0]=3 50 B10R1.2 c1cc(c(c(c1)O)O)C=O 23A [1,0,1,0,0,0|2,0,0]=4 51 B10R1.4 C=CCc1ccccc1O 2LP [1,0,1,0,0,0|0,0,1]=3 52 B10R1.17 C=CCNc1ccccc1 NYL [1,0,1,0,0,0|0,0,2]=4 53 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [1,0,1,0,0,0|2,0,0]=4 54 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [1,0,1,0,0,0|2,0,0]=4 55 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [0,1,1,0,0,0|2,0,0]=4 56 B12R1.226 c1cc(cc(c1)O)\C=C\[N+](=O)[O-] P80 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.252 c1ccc(cc1)SC=CC(=O)O 4ZD [0,1,1,0,0,0|2,0,0]=4 58 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O NTM [0,1,1,0,0,0|2,0,0]=4 59 B12R2.24 c1cc2cc(ccc2nc1)N ES5 [1,1,0,0,0,0|0,0,0]=2 60 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [1,1,0,0,0,0|0,0,1]=3 61 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [1,1,0,0,0,0|1,0,0]=3 62 B12R2.24 c1ccc2c(c1)N=C(CS2)N 4JT [1,1,0,0,0,0|1,0,1]=4 63 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [1,1,0,0,0,0|0,0,0]=2 64 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [1,1,0,0,0,0|0,0,0]=2 65 B12R2.24 c1ccc2cc(ccc2c1)O 03V [1,1,0,0,0,0|1,0,0]=3 66 B12R2.1 c1ccc2c(c1)c(cs2)CO 4W1 [0,1,0,0,1,0|2,0,0]=4 67 B12R2.2028 Cn1cc(c2c1cccc2)O MHD [0,1,0,0,1,0|2,0,0]=4 68 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N 2D0 [0,1,0,0,1,0|2,0,0]=4 69 B12R2.202 c1cc2c(c(c1)O)[nH]c(n2)N ES0 [0,1,0,0,1,0|1,0,1]=4 70 B14R2.203 c1ccc2c(c1)ccc(c2C=O)O 7WO [0,2,0,0,0,0|1,0,1]=4 71 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O VK3 [0,2,0,0,0,0|1,0,1]=4 72 B14R2.7724 Cc1cc(c2ccccc2c1O)O 17Z [0,2,0,0,0,0|1,0,0]=3 73 B14R2.7724 c1cc2c(cc(c(c2nc1)O)I)Cl CQL [0,2,0,0,0,0|0,0,0]=2 74 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O NQ [0,2,0,0,0,0|1,0,1]=4 75 B14R2.8045 CC1=Nc2c(cccc2O)C(=O)N1 NU1 [0,2,0,0,0,0|1,0,0]=3 76 B14R2.8235 c1cc2c(cc1Br)C(=CC(=O)O2)O 0FO [0,2,0,0,0,0|2,0,0]=4 77 B14R2.1019 CCc1cc(c2ccccc2n1)O 6VD [0,2,0,0,0,0|2,0,0]=4 78 B14R2.1146 COc1cc(cc2c1cccc2)N L8H [0,2,0,0,0,0|1,0,0]=3 79 B14R2.8051 c1cc2c(c(c1)O)C(=O)C=CC2=O JUG [0,2,0,0,0,0|1,0,0]=3 80 B14R2.31359 c1cc2cccnc2c(c1)[N+](=O)[O-] 2ZQ [0,2,0,0,0,0|0,0,1]=3 81 B10R2.7 c1c[nH]c2c1nccn2 36N [1,0,0,0,1,0|2,0,0]=4 82 B10R2.7 c1cc2c(cc[nH]2)nc1 4JP [1,0,0,0,1,0|1,0,0]=3 83 B10R2.7 c1cc2cc[nH]c2nc1 GVH [1,0,0,0,1,0|1,0,0]=3 84 B10R2.7 c1cc[n+]2cc[nH]c2c1 MPI [1,0,0,0,1,0|1,0,1]=4 85 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,0,1,0|0,0,1]=3 86 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [1,0,0,0,1,0|1,0,0]=3 87 B10R2.7 c1ccc2c(c1)[nH]nn2 0CT [1,0,0,0,1,0|2,0,0]=4 88 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [1,0,0,0,1,0|0,0,1]=3 89 B10R2.7 c1ccc2c(c1)cco2 BZF [1,0,0,0,1,0|1,0,0]=3 90 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [1,0,0,0,1,0|1,0,1]=4 91 B10R2.7 c1ccc2c(c1)cno2 0R1 [1,0,0,0,1,0|2,0,0]=4 92 B10R2.7 c1ccc2c(c1)ncs2 BOT [1,0,0,0,1,0|1,0,0]=3